ChemSpider 2D Image | Methyl (4xi)-3,6-anhydro-alpha-D-xylo-hexopyranoside | C7H12O5

Methyl (4ξ)-3,6-anhydro-α-D-xylo-hexopyranoside

  • Molecular FormulaC7H12O5
  • Average mass176.167 Da
  • Monoisotopic mass176.068466 Da
  • ChemSpider ID61699877

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4ξ)-3,6-Anhydro-α-D-xylo-hexopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (4ξ)-3,6-anhydro-α-D-xylo-hexopyranoside [ACD/IUPAC Name]
Methyl-(4ξ)-3,6-anhydro-α-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
α-D-xylo-Hexopyranoside, methyl 3,6-anhydro-, (4ξ)- [ACD/Index Name]
2089596-37-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 378.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.5±6.0 kJ/mol
Flash Point: 182.7±27.9 °C
Index of Refraction: 1.533
Molar Refractivity: 38.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.58
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.58
Polar Surface Area: 68 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 124.3±5.0 cm3

Click to predict properties on the Chemicalize site


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